0 mol 11 unq 0 iso 0 dist 5.59847 10.4181 6.859 6.49709 4.10106 5.96346 7.4835 6.50001 4.46394 5.95165 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 12.5434 4.44526 10.6551 5.50396 8.23446 10.7171 6.36381 6.53276 9.54519 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 11.8259 9.586 10.6551 5.50396 8.75662 10.7171 6.36381 6.81998 9.54519 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.48944 11.8259 9.586 9.79529 14.4081 9.44691 13.8983 15.2305 6.66757 6.11056 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.04448 6.2838 6.61696 10.6551 10.1698 8.4051 10.7171 16.6394 12.1061 9.54519 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.04448 6.2838 6.61696 9.79529 14.8647 8.60554 13.8983 17.6238 11.095 6.11056 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.6834 6.2838 5.80953 10.6551 13.6174 8.4051 10.7171 13.8227 12.1061 9.54519 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.6834 6.2838 5.80953 9.79529 5.11636 8.60554 13.8983 10.4056 11.095 6.11056 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.23015 6.84017 5.20109 8.94828 5.63212 6.16347 4.93826 5.77745 4.32173 8.40051 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 9.23015 6.84017 5.20109 13.2682 6.47509 7.45383 4.93826 5.77745 4.32173 8.6396 numMergedOcc 0
10 mol 41 unq 0 iso 0 dist 4.29713 7.50942 6.21128 14.0477 13.4019 8.51663 9.90336 9.74532 4.08339 5.41493 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 10.4899 14.2657 7.43001 5.9747 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 12.5314 14.7607 9.5305 4.50572 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 10.4899 8.3505 7.43001 5.9747 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 12.5314 8.32269 9.5305 4.50572 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 6.62354 5.26309 7.56755 9.26438 5.00433 7.80523 9.97562 9.94704 4.81814 8.3164 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 8.00085 11.4333 7.56755 6.43255 5.00433 7.80523 13.5611 9.94704 4.81814 8.3164 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 9.11314 5.39614 5.06564 12.9413 4.78563 7.78652 16.7641 12.027 11.6678 8.30654 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 9.11314 7.44842 7.5373 12.9413 4.78563 8.91301 16.7641 12.027 11.347 8.30654 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 6.27266 6.31156 6.22742 4.78641 5.41635 7.36683 8.94388 10.6446 7.14066 7.63036 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.63804 8.51744 8.43195 11.4413 6.84862 7.67576 20.0049 15.2698 12.979 9.55777 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 8.61619 8.51744 8.23406 11.4413 9.53117 7.67576 20.0049 16.9252 12.979 9.55777 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.73257 11.3445 7.77911 16.6604 13.1872 7.32499 16.5518 12.6209 11.1213 7.46434 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 9.73257 11.3445 7.77911 16.6604 13.1872 7.32499 19.6578 18.3012 10.6488 7.50424 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.61255 4.69368 7.77765 11.6773 12.393 9.45514 6.59723 8.97249 6.70266 6.55855 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 9.61255 4.69368 7.77765 11.5347 10.2884 7.1729 6.59723 8.97249 6.70266 9.52894 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 7.64703 4.69368 9.65868 11.6773 8.87855 9.45514 6.59723 4.97796 6.70266 6.55855 numMergedOcc 0
27 mol 274 unq 3 iso 0 dist 7.64703 4.69368 9.65868 11.5347 13.0867 7.1729 6.59723 4.97796 6.70266 9.52894 numMergedOcc 0
28 mol 274 unq 4 iso 0 dist 7.64703 11.5711 8.60027 17.9263 16.9539 8.52587 10.0125 9.39896 4.36131 9.71801 numMergedOcc 0
29 mol 274 unq 5 iso 0 dist 7.64703 11.5711 8.60027 11.6773 8.87855 6.39866 6.59723 4.97796 5.15747 6.55855 numMergedOcc 0
